[3-[4-[butyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate

Systemtic Name: [3-[4-[butyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[4-[butyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[4-[butyl-[(hexylamino)-oxomethyl]amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[4-[butyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[4-[butyl(hexylcarbamoyl)amino]phenyl]thio]phenyl] ester Formula: C27H38N2O3S MolecularWeight: 470.66722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)N(CCCC)C1=CC=C(C=C1)SC2=CC=CC(=C2)OC(=O)CCC

Isomeric SMILES

CCCCCCNC(=O)N(CCCC)C1=CC=C(C=C1)SC2=CC=CC(=C2)OC(=O)CCC

InChI

InChI=1S/C27H38N2O3S/c1-4-7-9-10-19-28-27(31)29(20-8-5-2)22-15-17-24(18-16-22)33-25-14-11-13-23(21-25)32-26(30)12-6-3/h11,13-18,21H,4-10,12,19-20H2,1-3H3,(H,28,31)